Aluminum, bis(formato-kappaO)hydro-

C2H2AlO4 — CID 16684092

IUPAC—
SMILESO=CO[Al]OC=O
InChIInChI=1S/2CH2O2.Al/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
InChIKeyXFEICTSXAUCICV-UHFFFAOYSA-L
MW117.02 g/mol
LogP-1.13
Rot. Bonds4

About Aluminum, bis(formato-kappaO)hydro-

Aluminum, bis(formato-kappaO)hydro- (PubChem CID 16684092) has the molecular formula C2H2AlO4 and a molecular weight of 117.02 g/mol.

Molecular Properties

Compound NameAluminum, bis(formato-kappaO)hydro-
PubChem CID16684092
Molecular FormulaC2H2AlO4
Molecular Weight117.02 g/mol
Exact Mass116.98
IUPAC Name—
SMILESO=CO[Al]OC=O
InChIInChI=1S/2CH2O2.Al/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
InChIKeyXFEICTSXAUCICV-UHFFFAOYSA-L
XLogP-1.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.02
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Aluminum, bis(formato-kappaO)hydro-?
The IUPAC name of Aluminum, bis(formato-kappaO)hydro- (CID 16684092) is not available.
What is the SMILES notation for Aluminum, bis(formato-kappaO)hydro-?
The canonical SMILES for Aluminum, bis(formato-kappaO)hydro- is O=CO[Al]OC=O.
What is the InChIKey of Aluminum, bis(formato-kappaO)hydro-?
The InChIKey is XFEICTSXAUCICV-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH2O2.Al/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2.
What are the key properties of Aluminum, bis(formato-kappaO)hydro-?
Aluminum, bis(formato-kappaO)hydro- has a molecular weight of 117.02 g/mol, XLogP of -1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Aluminum, bis(formato-kappaO)hydro- is sourced from PubChem (CID 16684092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).